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Chemical ID: 6177402
Chemical ID:
6177402
Name [?]:
5-bromo-N-(3-chlorophenyl)-thiophene-2-carboxamide
SMILES [?]:
c1cc(cc(c1)Cl)NC(=O)c2ccc(s2)Br
InChi [?]:
InChI=1/C11H7BrClNOS/c12-10-5-4-9(16-10)11(15)14-8-3-1-2-7(13)6-8/h1-6H,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,6,2,12,13,4,5,3,11,14,9,16,7,8,10,15/rA:16nCCCCCCClNCOCCCCSBr/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;d11;s12;d13;s11s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H7BrClNOS |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.58063 |
Area: | 441.044 |
Solvation: | -1.44547 |
Coulombic: | -23.6833 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 316.602 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.06 |
LogP (Chemaxon): | 3.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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